5-(4-azanylbutylamino)-1,2-dimethyl-3-[(4-nitrophenoxy)methyl]indole-4,7-dione

Systemtic Name: 5-(4-azanylbutylamino)-1,2-dimethyl-3-[(4-nitrophenoxy)methyl]indole-4,7-dione Openeye Name: 5-(4-aminobutylamino)-1,2-dimethyl-3-[(4-nitrophenoxy)methyl]indole-4,7-dione CAS Name: 5-(4-aminobutylamino)-1,2-dimethyl-3-[(4-nitrophenoxy)methyl]indole-4,7-dione IUPAC Name: 5-(4-aminobutylamino)-1,2-dimethyl-3-[(4-nitrophenoxy)methyl]indole-4,7-dione Traditional Name: 5-(4-aminobutylamino)-1,2-dimethyl-3-[(4-nitrophenoxy)methyl]indole-4,7-quinone Formula: C21H24N4O5 MolecularWeight: 412.43906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C)C(=O)C=C(C2=O)NCCCCN)COC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C2=C(N1C)C(=O)C=C(C2=O)NCCCCN)COC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O5/c1-13-16(12-30-15-7-5-14(6-8-15)25(28)29)19-20(24(13)2)18(26)11-17(21(19)27)23-10-4-3-9-22/h5-8,11,23H,3-4,9-10,12,22H2,1-2H3